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43
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The dispersion energiesfidisp are 4.12,4.06, and 3.03 kcaVmol for C6H6⋯B2H6, C 5H6⋯B2H6, and C 2H6⋯B2H6, respectively. They are much larger than the electrostatic energies-Eelst: 2.68, 2.94, and 2.48 kcal/mol
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elst: 2.68, 2.94, and 2.48 kcal/mol.
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44
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45
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(b) 1,3-Cyclopentadiene: Kiselev, V. D.; Sakhabutdinov, A. G.; Shakirov, I. M.; Zverev, V. V.; Konovalov, A. I. Zh. Org. Khim. 1992, 228, 2244.
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0000644670
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(c) Benzene: Nemeth, G. I.; Selzle, H. L.; Schlag, E. W. Chem. Phys. Lett. 1993, 215, 151.
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